COMPOUND: C14651
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Entry
C14651 Compound
Name
16alpha,17alpha-Epoxy-3,20-dioxopregn-4-en-21-yl acetate;
16,17-Epoxydeoxycorticosterone acetate
Formula
C23H30O5
Exact mass
386.2093
Mol weight
386.4813
Structure
Mol file
KCF file
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Other DBs
CAS:
21853-83-8
PubChem:
17395651
ChEBI:
34170
NIKKAJI:
J225.462J
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KCF data
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ATOM 28
1 C1x C 19.8378 -22.0493
2 C5x C 19.8378 -23.4095
3 C2x C 21.0157 -24.0895
4 C2y C 22.1935 -23.4095
5 C1z C 22.1935 -22.0493
6 C1x C 21.0157 -21.3692
7 C1x C 23.3716 -24.0895
8 C1x C 24.5494 -23.4095
9 C1y C 24.5494 -22.0493
10 C1y C 23.3716 -21.3692
11 C1y C 25.7274 -21.3692
12 C1z C 25.7274 -20.0092
13 C1x C 24.5494 -19.3292
14 C1x C 23.3716 -20.0092
15 C1x C 28.0831 -21.3692
16 C1y C 28.0831 -20.0092
17 C1z C 26.9051 -19.3292
18 C1a C 25.7544 -18.6491
19 C5a C 26.9103 -17.9690
20 C1a C 22.1905 -20.6500
21 C1b C 28.0936 -17.2920
22 O2x O 28.1108 -18.6022
23 O5x O 18.6351 -24.1041
24 O5a O 25.7122 -17.2711
25 O7a O 29.3066 -17.9988
26 C7a C 30.5264 -17.3012
27 C1a C 31.7460 -18.0123
28 O6a O 30.5317 -15.8752
BOND 32
1 1 2 1
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 11 15 1
18 15 16 1
19 16 17 1
20 12 17 1
21 12 18 1 #Up
22 17 19 1 #Up
23 5 20 1 #Up
24 19 21 1
25 17 22 1 #Down
26 16 22 1 #Down
27 2 23 2
28 19 24 2
29 21 25 1
30 25 26 1
31 26 27 1
32 26 28 2
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